CID 211072

Dtxsid20944831

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCCC(CCC)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C
InChI
InChI=1S/C15H22N2O3/c1-4-6-12(7-5-2)15(18)16-14-10-13(17(19)20)9-8-11(14)3/h8-10,12H,4-7H2,1-3H3,(H,16,18)
InChIKey
ZIULSXOXQQTKIM-UHFFFAOYSA-N
Compound name
N-(2-methyl-5-nitrophenyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 167.1
[M+Na]+ 301.15228 171.4
[M-H]- 277.15578 170.2
[M+NH4]+ 296.19688 182.2
[M+K]+ 317.12622 165.2
[M+H-H2O]+ 261.16032 164.6
[M+HCOO]- 323.16126 190.2
[M+CH3COO]- 337.17691 199.7
[M+Na-2H]- 299.13773 169.4
[M]+ 278.16251 167.3
[M]- 278.16361 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.